Reaction Details Report a problem with these data
Target
Toll-like receptor 2
Ligand
BDBM50274719
Substrate
n/a
Meas. Tech.
ChEMBL_537434 (CHEMBL989789)
IC50
900±n/a nM
Citation
 Czarniecki, M Small molecule modulators of toll-like receptors. J Med Chem 51:6621-6 (2008) [PubMed]  Article 
Target
Name:
Toll-like receptor 2
Synonyms:
TIL4 | TLR2 | TLR2_HUMAN | Toll-like receptor 2 | Toll-like receptor 2 (TLR2)
Type:
Protein
Mol. Mass.:
89837.58
Organism:
Homo sapiens (Human)
Description:
O60603
Residue:
784
Sequence:
MPHTLWMVWVLGVIISLSKEESSNQASLSCDRNGICKGSSGSLNSIPSGLTEAVKSLDLSNNRITYISNSDLQRCVNLQALVLTSNGINTIEEDSFSSLGSLEHLDLSYNYLSNLSSSWFKPLSSLTFLNLLGNPYKTLGETSLFSHLTKLQILRVGNMDTFTKIQRKDFAGLTFLEELEIDASDLQSYEPKSLKSIQNVSHLILHMKQHILLLEIFVDVTSSVECLELRDTDLDTFHFSELSTGETNSLIKKFTFRNVKITDESLFQVMKLLNQISGLLELEFDDCTLNGVGNFRASDNDRVIDPGKVETLTIRRLHIPRFYLFYDLSTLYSLTERVKRITVENSKVFLVPCLLSQHLKSLEYLDLSENLMVEEYLKNSACEDAWPSLQTLILRQNHLASLEKTGETLLTLKNLTNIDISKNSFHSMPETCQWPEKMKYLNLSSTRIHSVTGCIPKTLEILDVSNNNLNLFSLNLPQLKELYISRNKLMTLPDASLLPMLLVLKISRNAITTFSKEQLDSFHTLKTLEAGGNNFICSCEFLSFTQEQQALAKVLIDWPANYLCDSPSHVRGQQVQDVRLSVSECHRTALVSGMCCALFLLILLTGVLCHRFHGLWYMKMMWAWLQAKRKPRKAPSRNICYDAFVSYSERDAYWVENLMVQELENFNPPFKLCLHKRDFIPGKWIIDNIIDSIEKSHKTVFVLSENFVKSEWCKYELDFSHFRLFDENNDAAILILLEPIEKKAIPQRFCKLRKIMNTKTYLEWPMDEAQREGFWVNLRAAIKS
  
Inhibitor
Name:
BDBM50274719
Synonyms:
CHEMBL446794 | Dodecanoic acid 1-(2-{(S)-3-[(2-{(2S,3R)-3-carboxy-2-[2-(4-hydroxy-phenyl)-acetylamino]-butyrylamino}-ethoxy)-hydroxy-phosphoryloxy]-2-tetradecanoylamino-propionylamino}-ethyl)-octyl ester
Type:
Small organic molecule
Emp. Form.:
C54H95N4O13P
Mol. Mass.:
1039.3249
SMILES:
CCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1)[C@@H](C)C(O)=O)C(=O)NCCC(CCCCCCC)OC(=O)CCCCCCCCCCC |r|
Structure:
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